Crystallography Open Database

Information card for entry 4349681

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Coordinates	4349681.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H16 Cu2 O10
Calculated formula	C23 H12 Cu2 O10
Title of publication	A comparative study of the effect of functional groups on C2H2 adsorption in NbO-type metal‒organic frameworks
Authors of publication	Chen, Fengli; Bai, Dongjie; Wang, Xia; He, Yabing
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2017
Journal volume	4
Journal issue	6
Pages of publication	960
a	18.6166 ± 0.0007 Å
b	18.6166 ± 0.0007 Å
c	38.6451 ± 0.0014 Å
α	90°
β	90°
γ	120°
Cell volume	11599.1 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.0832
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.1814
Weighted residual factors for all reflections included in the refinement	0.1926
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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